CID 53440191

Dtxsid40702415

Structural Information

Molecular Formula
C18H27F5Sn
SMILES
CCCC[Sn](CCCC)(C1=CC=CC=C1)C(CCC(F)(F)F)(F)F
InChI
InChI=1S/C6H5.C4H4F5.2C4H9.Sn/c1-2-4-6-5-3-1;5-3(6)1-2-4(7,8)9;2*1-3-4-2;/h1-5H;1-2H2;2*1,3-4H2,2H3;
InChIKey
PKMFSZCDJPXNAP-UHFFFAOYSA-N
Compound name
dibutyl-(1,1,4,4,4-pentafluorobutyl)-phenylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

458.1055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11278 204.9
[M+Na]+ 481.09472 209.4
[M+NH4]+ 476.13932 207.1
[M+K]+ 497.06866 202.6
[M-H]- 457.09822 198.6
[M+Na-2H]- 479.08017 204.4
[M]+ 458.10495 203.5
[M]- 458.10605 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe